E544-0583 Screening compound: {2-(3-methoxyphenyl)-9-methyl-4-[(4-methylbenzyl)sulfanyl]-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol

E544-0583 Screening compound: {2-(3-methoxyphenyl)-9-methyl-4-[(4-methylbenzyl)sulfanyl]-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol
E544-0583 Screening compound: {2-(3-methoxyphenyl)-9-methyl-4-[(4-methylbenzyl)sulfanyl]-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0583
{2-(3-methoxyphenyl)-9-methyl-4-[(4-methylbenzyl)sulfanyl]-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E544-0583

Molecular Formula

C27H25N3O3S (C27 H25 N3 O3 S)

Compound Name

{2-(3-methoxyphenyl)-9-methyl-4-[(4-methylbenzyl)sulfanyl]-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol

IUPAC name

[5-(3-methoxyphenyl)-14-methyl-7-{[(4-methylphenyl)methyl]sulfanyl}-2-oxa-4613-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3(8)461113-hexaen-11-yl]methanol

SMILES

Cc1ccc(CSc2nc(-c3cc(OC)ccc3)nc3c2Cc(c(CO)cnc2C)c2O3)cc1

InChI

InChI=1S/C27H25N3O3S/c1-16-7-9-18(10-8-16)15-34-27-23-12-22-20(14-31)13-28-17(2)24(22)33-26(23)29-25(30-27)19-5-4-6-21(11-19)32-3/h4-11,13,31H,12,14-15H2,1-3H3

InChI Key

MMENOWJYMDPXFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.736

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.51

Polar Surface Area

60.188

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E544-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0583?
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What is the minimum amount of E544-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0583
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E544-0583 available by request